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Information card for entry 2243848
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| Coordinates | 2243848.cif |
|---|---|
| Structure factors | 2243848.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 1-methyl-2-(5-chloro-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1<i>H</i>-benzimidazole-5-carboxylate |
|---|---|
| Formula | C21 H19 Cl N4 O2 |
| Calculated formula | C21 H19 Cl N4 O2 |
| Title of publication | The crystal structures of three disordered 2-substituted benzimidazole esters |
| Authors of publication | Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Manju, Nagaraja; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 5 |
| Pages of publication | 473 - 479 |
| a | 11.1095 ± 0.0004 Å |
| b | 9.5126 ± 0.0004 Å |
| c | 18.6747 ± 0.0008 Å |
| α | 90° |
| β | 95.079 ± 0.004° |
| γ | 90° |
| Cell volume | 1965.8 ± 0.14 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0548 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.1005 |
| Weighted residual factors for all reflections included in the refinement | 0.1092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266199 (current) | 2021-06-06 | cif/ hkl/ Adding structures of 2243846, 2243847, 2243848 via cif-deposit CGI script. |
2243848.cif 2243848.hkl |
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